(E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid

C15H26O5 — CID 101278459

IUPAC(E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid
SMILESCCCCC/C=C/CC(CC(=O)OCC(C)O)C(=O)O
InChIInChI=1S/C15H26O5/c1-3-4-5-6-7-8-9-13(15(18)19)10-14(17)20-11-12(2)16/h7-8,12-13,16H,3-6,9-11H2,1-2H3,(H,18,19)/b8-7+
InChIKeyJWIKIYLBARDMLJ-BQYQJAHWSA-N
MW286.37 g/mol
LogP2.53
Rot. Bonds11

About (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid

(E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid (PubChem CID 101278459) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid
PubChem CID101278459
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name(E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid
SMILESCCCCC/C=C/CC(CC(=O)OCC(C)O)C(=O)O
InChIInChI=1S/C15H26O5/c1-3-4-5-6-7-8-9-13(15(18)19)10-14(17)20-11-12(2)16/h7-8,12-13,16H,3-6,9-11H2,1-2H3,(H,18,19)/b8-7+
InChIKeyJWIKIYLBARDMLJ-BQYQJAHWSA-N
XLogP2.53
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(2-butoxy-2-oxoethyl)dec-4-enoic acid
CID 87830763
(E)-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-3-carboxyhenicos-5-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]icos-4-enoic acid
CID 118316992
2-(2-octadec-1-enoxy-2-oxoethyl)icos-4-enoic acid
CID 74935001
(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130
2-pentacos-2-enylbutanedioic acid
CID 139984745
2-pentadec-2-enylbutanedioic acid
CID 54072439
CID 170844575
CID 170844575
2-[2-(4-methylcyclohexyl)oxy-2-oxoethyl]icos-4-enoic acid
CID 74934313
2-[(2E,12E)-hexadeca-2,12-dienyl]butanedioic acid
CID 101278133
2-oct-2-enyldec-4-enedioic acid
CID 123647118
(E)-2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]dec-5-enoic acid
CID 101278522

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid?
The IUPAC name of (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid (CID 101278459) is (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid.
What is the SMILES notation for (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid?
The canonical SMILES for (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid is CCCCC/C=C/CC(CC(=O)OCC(C)O)C(=O)O.
What is the InChIKey of (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid?
The InChIKey is JWIKIYLBARDMLJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H26O5/c1-3-4-5-6-7-8-9-13(15(18)19)10-14(17)20-11-12(2)16/h7-8,12-13,16H,3-6,9-11H2,1-2H3,(H,18,19)/b8-7+.
What are the key properties of (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid?
(E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-(2-hydroxypropoxy)-2-oxoethyl]dec-4-enoic acid is sourced from PubChem (CID 101278459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).